>compound DL-3-Aminoisobutyric acid_DL-3-Aminoisobutyric acid
#instrument UPLC Q-Tof Premier, Waters
>formula C4H9NO2
#smiles NCC(C)C(O)=O
#RECORD LC-ESI-QTOF_train_data/PR100838.txt;LC-ESI-QTOF_train_data/PR100387.txt
>charge -1
>ionization [M-H]-
>parentmass 102.05553

>collision 5-60
73.0306 3.556
102.0555 10.72

>collision 5-60
86.0594 32.29
104.0711 49.84

